USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -0.717! X(o=-0.72!,f=-0.61) USER MOD Set 4.1: A 12 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.8!) USER MOD Set 4.2: A 16 MET CE :methyl -113:sc= -0.0557 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.000484 X(o=-0.00048,f=-0.00048) USER MOD Single : A 20 SER OG : rot 180:sc= 0.023 USER MOD Single : A 22 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.12) USER MOD Single : A 25 HIS : no HD1:sc= -6.55! C(o=-6.5!,f=-10!) USER MOD Single : A 27 SER OG : rot 125:sc= 0.474 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -1.02 F(o=-1.6,f=-1) USER MOD Single : A 34 GLN : amide:sc= -7.86! C(o=-7.9!,f=-9.5!) USER MOD Single : A 45 MET CE :methyl -122:sc= -2.1 (180deg=-8.58!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= -5.59! (180deg=-9.1!) USER MOD Single : A 51 GLN : amide:sc= 0.709 K(o=0.71,f=-1.4) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -117:sc= 0 (180deg=-0.016) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.18 USER MOD Single : A 65 ASN :FLIP amide:sc= -1.72 F(o=-3.1!,f=-1.7) USER MOD Single : A 68 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.64) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.762 USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.0851 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 127 N ASN A 9 20.083 -4.381 7.979 1.00 0.00 N ATOM 128 CA ASN A 9 20.528 -3.489 6.921 1.00 0.00 C ATOM 129 C ASN A 9 21.913 -2.942 7.270 1.00 0.00 C ATOM 130 O ASN A 9 22.641 -2.480 6.392 1.00 0.00 O ATOM 131 CB ASN A 9 19.576 -2.301 6.766 1.00 0.00 C ATOM 132 CG ASN A 9 19.855 -1.542 5.467 1.00 0.00 C ATOM 133 OD1 ASN A 9 20.432 -0.467 5.458 1.00 0.00 O ATOM 134 ND2 ASN A 9 19.413 -2.158 4.375 1.00 0.00 N ATOM 0 HA ASN A 9 20.553 -4.056 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.545 -2.654 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 9 19.687 -1.628 7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.549 -1.732 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.938 -3.057 4.454 1.00 0.00 H new ATOM 141 N GLU A 10 22.237 -3.013 8.552 1.00 0.00 N ATOM 142 CA GLU A 10 23.523 -2.531 9.028 1.00 0.00 C ATOM 143 C GLU A 10 24.659 -3.340 8.399 1.00 0.00 C ATOM 144 O GLU A 10 25.356 -2.853 7.511 1.00 0.00 O ATOM 145 CB GLU A 10 23.596 -2.578 10.555 1.00 0.00 C ATOM 146 CG GLU A 10 24.037 -1.228 11.125 1.00 0.00 C ATOM 147 CD GLU A 10 22.848 -0.469 11.718 1.00 0.00 C ATOM 148 OE1 GLU A 10 21.844 -0.250 11.025 1.00 0.00 O ATOM 149 OE2 GLU A 10 22.993 -0.103 12.946 1.00 0.00 O ATOM 0 H GLU A 10 21.631 -3.397 9.277 1.00 0.00 H new ATOM 0 HA GLU A 10 23.633 -1.490 8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 10 22.621 -2.847 10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.296 -3.354 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 24.794 -1.383 11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 10 24.499 -0.631 10.339 1.00 0.00 H new ATOM 157 N ILE A 11 24.810 -4.564 8.885 1.00 0.00 N ATOM 158 CA ILE A 11 25.849 -5.446 8.382 1.00 0.00 C ATOM 159 C ILE A 11 25.840 -5.417 6.852 1.00 0.00 C ATOM 160 O ILE A 11 26.869 -5.646 6.217 1.00 0.00 O ATOM 161 CB ILE A 11 25.693 -6.849 8.971 1.00 0.00 C ATOM 162 CG1 ILE A 11 24.438 -7.535 8.429 1.00 0.00 C ATOM 163 CG2 ILE A 11 25.707 -6.806 10.501 1.00 0.00 C ATOM 164 CD1 ILE A 11 23.174 -6.928 9.041 1.00 0.00 C ATOM 0 H ILE A 11 24.230 -4.965 9.622 1.00 0.00 H new ATOM 0 HA ILE A 11 26.831 -5.099 8.702 1.00 0.00 H new ATOM 0 HB ILE A 11 26.548 -7.448 8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 11 24.405 -7.436 7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 11 24.478 -8.602 8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 11 25.594 -7.816 10.894 1.00 0.00 H new ATOM 0 HG22 ILE A 11 26.652 -6.386 10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.884 -6.185 10.855 1.00 0.00 H new ATOM 0 HD11 ILE A 11 22.296 -7.434 8.639 1.00 0.00 H new ATOM 0 HD12 ILE A 11 23.199 -7.050 10.124 1.00 0.00 H new ATOM 0 HD13 ILE A 11 23.125 -5.867 8.797 1.00 0.00 H new ATOM 176 N GLN A 12 24.668 -5.133 6.304 1.00 0.00 N ATOM 177 CA GLN A 12 24.511 -5.071 4.861 1.00 0.00 C ATOM 178 C GLN A 12 25.160 -3.799 4.311 1.00 0.00 C ATOM 179 O GLN A 12 25.862 -3.843 3.302 1.00 0.00 O ATOM 180 CB GLN A 12 23.035 -5.150 4.466 1.00 0.00 C ATOM 181 CG GLN A 12 22.880 -5.601 3.012 1.00 0.00 C ATOM 182 CD GLN A 12 22.798 -4.399 2.070 1.00 0.00 C ATOM 183 OE1 GLN A 12 23.143 -3.281 2.417 1.00 0.00 O ATOM 184 NE2 GLN A 12 22.322 -4.689 0.862 1.00 0.00 N ATOM 0 H GLN A 12 23.817 -4.943 6.834 1.00 0.00 H new ATOM 0 HA GLN A 12 25.016 -5.932 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 12 22.516 -5.847 5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 12 22.566 -4.175 4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.724 -6.231 2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 12 21.981 -6.209 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 12 22.051 -5.646 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 12 22.228 -3.954 0.161 1.00 0.00 H new ATOM 193 N SER A 13 24.901 -2.697 4.998 1.00 0.00 N ATOM 194 CA SER A 13 25.451 -1.415 4.591 1.00 0.00 C ATOM 195 C SER A 13 26.972 -1.422 4.754 1.00 0.00 C ATOM 196 O SER A 13 27.690 -0.846 3.938 1.00 0.00 O ATOM 197 CB SER A 13 24.836 -0.270 5.399 1.00 0.00 C ATOM 198 OG SER A 13 25.200 1.006 4.879 1.00 0.00 O ATOM 0 H SER A 13 24.318 -2.665 5.834 1.00 0.00 H new ATOM 0 HA SER A 13 25.205 -1.256 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 13 23.750 -0.366 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.160 -0.344 6.437 1.00 0.00 H new ATOM 0 HG SER A 13 24.787 1.710 5.421 1.00 0.00 H new ATOM 204 N VAL A 14 27.418 -2.081 5.813 1.00 0.00 N ATOM 205 CA VAL A 14 28.841 -2.171 6.094 1.00 0.00 C ATOM 206 C VAL A 14 29.478 -3.197 5.154 1.00 0.00 C ATOM 207 O VAL A 14 30.588 -2.992 4.666 1.00 0.00 O ATOM 208 CB VAL A 14 29.064 -2.495 7.572 1.00 0.00 C ATOM 209 CG1 VAL A 14 30.508 -2.933 7.826 1.00 0.00 C ATOM 210 CG2 VAL A 14 28.689 -1.304 8.457 1.00 0.00 C ATOM 0 H VAL A 14 26.819 -2.558 6.487 1.00 0.00 H new ATOM 0 HA VAL A 14 29.328 -1.214 5.909 1.00 0.00 H new ATOM 0 HB VAL A 14 28.411 -3.327 7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 14 30.639 -3.157 8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 14 30.727 -3.823 7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 14 31.188 -2.131 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 14 28.857 -1.561 9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.305 -0.445 8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 14 27.638 -1.057 8.308 1.00 0.00 H new ATOM 220 N LEU A 15 28.747 -4.279 4.929 1.00 0.00 N ATOM 221 CA LEU A 15 29.227 -5.337 4.057 1.00 0.00 C ATOM 222 C LEU A 15 29.300 -4.815 2.621 1.00 0.00 C ATOM 223 O LEU A 15 30.175 -5.216 1.854 1.00 0.00 O ATOM 224 CB LEU A 15 28.364 -6.591 4.211 1.00 0.00 C ATOM 225 CG LEU A 15 28.720 -7.767 3.300 1.00 0.00 C ATOM 226 CD1 LEU A 15 30.178 -8.188 3.492 1.00 0.00 C ATOM 227 CD2 LEU A 15 27.754 -8.935 3.509 1.00 0.00 C ATOM 0 H LEU A 15 27.826 -4.446 5.335 1.00 0.00 H new ATOM 0 HA LEU A 15 30.236 -5.635 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 15 28.428 -6.927 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.325 -6.317 4.028 1.00 0.00 H new ATOM 0 HG LEU A 15 28.613 -7.442 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.405 -9.026 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.833 -7.350 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 15 30.337 -8.488 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 28.030 -9.758 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.805 -9.268 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.738 -8.612 3.281 1.00 0.00 H new ATOM 239 N MET A 16 28.370 -3.927 2.299 1.00 0.00 N ATOM 240 CA MET A 16 28.319 -3.346 0.969 1.00 0.00 C ATOM 241 C MET A 16 29.296 -2.175 0.844 1.00 0.00 C ATOM 242 O MET A 16 29.950 -2.014 -0.185 1.00 0.00 O ATOM 243 CB MET A 16 26.898 -2.858 0.679 1.00 0.00 C ATOM 244 CG MET A 16 25.989 -4.024 0.283 1.00 0.00 C ATOM 245 SD MET A 16 25.090 -3.618 -1.206 1.00 0.00 S ATOM 246 CE MET A 16 24.333 -5.197 -1.550 1.00 0.00 C ATOM 0 H MET A 16 27.646 -3.596 2.937 1.00 0.00 H new ATOM 0 HA MET A 16 28.604 -4.112 0.248 1.00 0.00 H new ATOM 0 HB2 MET A 16 26.494 -2.360 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 16 26.919 -2.120 -0.123 1.00 0.00 H new ATOM 0 HG2 MET A 16 26.585 -4.923 0.124 1.00 0.00 H new ATOM 0 HG3 MET A 16 25.291 -4.243 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 16 24.754 -5.610 -2.467 1.00 0.00 H new ATOM 0 HE2 MET A 16 24.524 -5.880 -0.723 1.00 0.00 H new ATOM 0 HE3 MET A 16 23.258 -5.066 -1.671 1.00 0.00 H new ATOM 256 N ASN A 17 29.363 -1.387 1.907 1.00 0.00 N ATOM 257 CA ASN A 17 30.249 -0.235 1.929 1.00 0.00 C ATOM 258 C ASN A 17 31.699 -0.711 1.819 1.00 0.00 C ATOM 259 O ASN A 17 32.540 -0.023 1.241 1.00 0.00 O ATOM 260 CB ASN A 17 30.106 0.545 3.238 1.00 0.00 C ATOM 261 CG ASN A 17 29.104 1.691 3.086 1.00 0.00 C ATOM 262 OD1 ASN A 17 29.236 2.557 2.236 1.00 0.00 O ATOM 263 ND2 ASN A 17 28.098 1.648 3.954 1.00 0.00 N ATOM 0 H ASN A 17 28.819 -1.523 2.759 1.00 0.00 H new ATOM 0 HA ASN A 17 29.983 0.412 1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 17 29.778 -0.126 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 17 31.076 0.942 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 17 27.376 2.368 3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 17 28.048 0.895 4.640 1.00 0.00 H new ATOM 270 N ALA A 18 31.949 -1.883 2.383 1.00 0.00 N ATOM 271 CA ALA A 18 33.283 -2.459 2.355 1.00 0.00 C ATOM 272 C ALA A 18 33.513 -3.135 1.002 1.00 0.00 C ATOM 273 O ALA A 18 34.484 -2.832 0.310 1.00 0.00 O ATOM 274 CB ALA A 18 33.445 -3.429 3.527 1.00 0.00 C ATOM 0 H ALA A 18 31.250 -2.450 2.863 1.00 0.00 H new ATOM 0 HA ALA A 18 34.039 -1.682 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 18 34.445 -3.861 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 18 33.301 -2.893 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 18 32.704 -4.225 3.446 1.00 0.00 H new ATOM 280 N LEU A 19 32.605 -4.040 0.666 1.00 0.00 N ATOM 281 CA LEU A 19 32.698 -4.762 -0.591 1.00 0.00 C ATOM 282 C LEU A 19 31.462 -5.649 -0.757 1.00 0.00 C ATOM 283 O LEU A 19 31.343 -6.682 -0.100 1.00 0.00 O ATOM 284 CB LEU A 19 34.020 -5.528 -0.674 1.00 0.00 C ATOM 285 CG LEU A 19 34.012 -6.945 -0.097 1.00 0.00 C ATOM 286 CD1 LEU A 19 33.537 -7.958 -1.140 1.00 0.00 C ATOM 287 CD2 LEU A 19 35.382 -7.311 0.477 1.00 0.00 C ATOM 0 H LEU A 19 31.802 -4.289 1.243 1.00 0.00 H new ATOM 0 HA LEU A 19 32.707 -4.066 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.319 -5.585 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.785 -4.950 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 19 33.300 -6.975 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.541 -8.957 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.526 -7.705 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.206 -7.935 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.349 -8.323 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.133 -7.259 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.642 -6.612 1.272 1.00 0.00 H new ATOM 299 N SER A 20 30.574 -5.214 -1.638 1.00 0.00 N ATOM 300 CA SER A 20 29.352 -5.955 -1.899 1.00 0.00 C ATOM 301 C SER A 20 29.679 -7.269 -2.612 1.00 0.00 C ATOM 302 O SER A 20 30.728 -7.865 -2.372 1.00 0.00 O ATOM 303 CB SER A 20 28.373 -5.128 -2.734 1.00 0.00 C ATOM 304 OG SER A 20 28.549 -3.728 -2.532 1.00 0.00 O ATOM 0 H SER A 20 30.676 -4.357 -2.181 1.00 0.00 H new ATOM 0 HA SER A 20 28.876 -6.176 -0.944 1.00 0.00 H new ATOM 0 HB2 SER A 20 28.510 -5.362 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.351 -5.406 -2.475 1.00 0.00 H new ATOM 0 HG SER A 20 27.906 -3.235 -3.083 1.00 0.00 H new ATOM 310 N LEU A 21 28.762 -7.681 -3.475 1.00 0.00 N ATOM 311 CA LEU A 21 28.940 -8.913 -4.225 1.00 0.00 C ATOM 312 C LEU A 21 27.668 -9.208 -5.021 1.00 0.00 C ATOM 313 O LEU A 21 27.736 -9.587 -6.190 1.00 0.00 O ATOM 314 CB LEU A 21 29.360 -10.051 -3.293 1.00 0.00 C ATOM 315 CG LEU A 21 30.658 -10.773 -3.659 1.00 0.00 C ATOM 316 CD1 LEU A 21 31.860 -10.126 -2.968 1.00 0.00 C ATOM 317 CD2 LEU A 21 30.558 -12.269 -3.354 1.00 0.00 C ATOM 0 H LEU A 21 27.893 -7.184 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 21 29.750 -8.807 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.463 -9.649 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 21 28.555 -10.785 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 21 30.813 -10.673 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 21 32.769 -10.659 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 31.941 -9.084 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.727 -10.173 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 21 31.494 -12.759 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 21 30.367 -12.412 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 21 29.742 -12.704 -3.931 1.00 0.00 H new ATOM 329 N GLN A 22 26.536 -9.023 -4.357 1.00 0.00 N ATOM 330 CA GLN A 22 25.250 -9.265 -4.989 1.00 0.00 C ATOM 331 C GLN A 22 24.124 -9.162 -3.958 1.00 0.00 C ATOM 332 O GLN A 22 23.332 -8.221 -3.990 1.00 0.00 O ATOM 333 CB GLN A 22 25.229 -10.626 -5.688 1.00 0.00 C ATOM 334 CG GLN A 22 24.103 -10.695 -6.721 1.00 0.00 C ATOM 335 CD GLN A 22 24.535 -11.499 -7.950 1.00 0.00 C ATOM 336 OE1 GLN A 22 25.025 -12.612 -7.855 1.00 0.00 O ATOM 337 NE2 GLN A 22 24.327 -10.874 -9.105 1.00 0.00 N ATOM 0 H GLN A 22 26.483 -8.708 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 22 25.092 -8.500 -5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 22 26.187 -10.802 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 22 25.098 -11.416 -4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.221 -11.154 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 22 23.819 -9.687 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 22 23.912 -9.942 -9.113 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.582 -11.326 -9.983 1.00 0.00 H new ATOM 346 N GLU A 23 24.089 -10.142 -3.067 1.00 0.00 N ATOM 347 CA GLU A 23 23.073 -10.172 -2.028 1.00 0.00 C ATOM 348 C GLU A 23 23.723 -10.372 -0.657 1.00 0.00 C ATOM 349 O GLU A 23 24.946 -10.449 -0.551 1.00 0.00 O ATOM 350 CB GLU A 23 22.036 -11.262 -2.307 1.00 0.00 C ATOM 351 CG GLU A 23 20.615 -10.724 -2.129 1.00 0.00 C ATOM 352 CD GLU A 23 19.714 -11.163 -3.286 1.00 0.00 C ATOM 353 OE1 GLU A 23 19.121 -10.313 -3.966 1.00 0.00 O ATOM 354 OE2 GLU A 23 19.643 -12.438 -3.468 1.00 0.00 O ATOM 0 H GLU A 23 24.747 -10.921 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 23 22.553 -9.214 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.162 -11.638 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.197 -12.104 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 23 20.202 -11.082 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 23 20.638 -9.636 -2.074 1.00 0.00 H new ATOM 362 N VAL A 24 22.875 -10.449 0.358 1.00 0.00 N ATOM 363 CA VAL A 24 23.350 -10.638 1.718 1.00 0.00 C ATOM 364 C VAL A 24 22.465 -11.666 2.425 1.00 0.00 C ATOM 365 O VAL A 24 21.363 -11.961 1.967 1.00 0.00 O ATOM 366 CB VAL A 24 23.403 -9.293 2.445 1.00 0.00 C ATOM 367 CG1 VAL A 24 22.154 -9.085 3.304 1.00 0.00 C ATOM 368 CG2 VAL A 24 24.674 -9.175 3.288 1.00 0.00 C ATOM 0 H VAL A 24 21.861 -10.384 0.266 1.00 0.00 H new ATOM 0 HA VAL A 24 24.366 -11.032 1.716 1.00 0.00 H new ATOM 0 HB VAL A 24 23.427 -8.506 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 24 22.217 -8.122 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 24 21.268 -9.104 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 24 22.086 -9.881 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 24 24.687 -8.210 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 24 24.694 -9.974 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 24 25.548 -9.257 2.642 1.00 0.00 H new ATOM 378 N HIS A 25 22.981 -12.183 3.531 1.00 0.00 N ATOM 379 CA HIS A 25 22.251 -13.172 4.306 1.00 0.00 C ATOM 380 C HIS A 25 22.596 -13.018 5.789 1.00 0.00 C ATOM 381 O HIS A 25 23.754 -13.162 6.178 1.00 0.00 O ATOM 382 CB HIS A 25 22.520 -14.582 3.778 1.00 0.00 C ATOM 383 CG HIS A 25 21.697 -14.952 2.567 1.00 0.00 C ATOM 384 ND1 HIS A 25 21.887 -14.370 1.325 1.00 0.00 N ATOM 385 CD2 HIS A 25 20.681 -15.849 2.420 1.00 0.00 C ATOM 386 CE1 HIS A 25 21.018 -14.900 0.477 1.00 0.00 C ATOM 387 NE2 HIS A 25 20.271 -15.817 1.158 1.00 0.00 N ATOM 0 H HIS A 25 23.896 -11.935 3.909 1.00 0.00 H new ATOM 0 HA HIS A 25 21.179 -13.005 4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 25 23.577 -14.669 3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 25 22.321 -15.301 4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 25 20.278 -16.479 3.199 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.918 -14.650 -0.569 1.00 0.00 H new ATOM 0 HE2 HIS A 25 19.521 -16.384 0.762 1.00 0.00 H new ATOM 395 N VAL A 26 21.570 -12.728 6.575 1.00 0.00 N ATOM 396 CA VAL A 26 21.750 -12.553 8.006 1.00 0.00 C ATOM 397 C VAL A 26 20.998 -13.659 8.749 1.00 0.00 C ATOM 398 O VAL A 26 19.801 -13.537 9.004 1.00 0.00 O ATOM 399 CB VAL A 26 21.310 -11.148 8.421 1.00 0.00 C ATOM 400 CG1 VAL A 26 22.280 -10.090 7.890 1.00 0.00 C ATOM 401 CG2 VAL A 26 19.880 -10.862 7.958 1.00 0.00 C ATOM 0 H VAL A 26 20.611 -12.610 6.248 1.00 0.00 H new ATOM 0 HA VAL A 26 22.803 -12.641 8.272 1.00 0.00 H new ATOM 0 HB VAL A 26 21.326 -11.100 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 26 21.944 -9.100 8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 26 23.277 -10.276 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.311 -10.139 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 26 19.592 -9.857 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 19.827 -10.938 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.201 -11.587 8.406 1.00 0.00 H new ATOM 411 N SER A 27 21.731 -14.713 9.076 1.00 0.00 N ATOM 412 CA SER A 27 21.148 -15.839 9.784 1.00 0.00 C ATOM 413 C SER A 27 21.478 -15.747 11.276 1.00 0.00 C ATOM 414 O SER A 27 22.628 -15.519 11.648 1.00 0.00 O ATOM 415 CB SER A 27 21.647 -17.168 9.212 1.00 0.00 C ATOM 416 OG SER A 27 21.830 -17.106 7.800 1.00 0.00 O ATOM 0 H SER A 27 22.724 -14.811 8.863 1.00 0.00 H new ATOM 0 HA SER A 27 20.066 -15.801 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 27 22.590 -17.437 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.933 -17.956 9.451 1.00 0.00 H new ATOM 0 HG SER A 27 22.746 -17.374 7.577 1.00 0.00 H new ATOM 460 N HIS A 32 23.740 -12.032 17.786 1.00 0.00 N ATOM 461 CA HIS A 32 24.833 -12.847 17.284 1.00 0.00 C ATOM 462 C HIS A 32 24.349 -13.675 16.091 1.00 0.00 C ATOM 463 O HIS A 32 23.751 -14.735 16.268 1.00 0.00 O ATOM 464 CB HIS A 32 25.427 -13.707 18.401 1.00 0.00 C ATOM 465 CG HIS A 32 24.536 -14.843 18.841 1.00 0.00 C ATOM 466 ND1 HIS A 32 24.515 -16.156 18.470 1.00 0.00 N flip ATOM 467 CD2 HIS A 32 23.523 -14.685 19.771 1.00 0.00 C flip ATOM 468 CE1 HIS A 32 23.543 -16.766 19.137 1.00 0.00 C flip ATOM 469 NE2 HIS A 32 22.927 -15.855 19.944 1.00 0.00 N flip ATOM 0 HA HIS A 32 25.640 -12.204 16.932 1.00 0.00 H new ATOM 0 HB2 HIS A 32 26.379 -14.116 18.063 1.00 0.00 H new ATOM 0 HB3 HIS A 32 25.640 -13.072 19.261 1.00 0.00 H new ATOM 0 HD2 HIS A 32 23.263 -13.764 20.271 1.00 0.00 H new ATOM 0 HE1 HIS A 32 23.283 -17.811 19.054 1.00 0.00 H new ATOM 0 HE2 HIS A 32 22.144 -16.042 20.571 1.00 0.00 H new ATOM 477 N PHE A 33 24.627 -13.159 14.903 1.00 0.00 N ATOM 478 CA PHE A 33 24.228 -13.837 13.681 1.00 0.00 C ATOM 479 C PHE A 33 25.361 -13.827 12.653 1.00 0.00 C ATOM 480 O PHE A 33 26.354 -13.122 12.826 1.00 0.00 O ATOM 481 CB PHE A 33 23.033 -13.069 13.113 1.00 0.00 C ATOM 482 CG PHE A 33 23.204 -11.549 13.134 1.00 0.00 C ATOM 483 CD1 PHE A 33 23.252 -10.886 14.321 1.00 0.00 C ATOM 484 CD2 PHE A 33 23.307 -10.859 11.966 1.00 0.00 C ATOM 485 CE1 PHE A 33 23.410 -9.475 14.341 1.00 0.00 C ATOM 486 CE2 PHE A 33 23.466 -9.448 11.986 1.00 0.00 C ATOM 487 CZ PHE A 33 23.514 -8.786 13.173 1.00 0.00 C ATOM 0 H PHE A 33 25.124 -12.280 14.760 1.00 0.00 H new ATOM 0 HA PHE A 33 23.979 -14.876 13.897 1.00 0.00 H new ATOM 0 HB2 PHE A 33 22.862 -13.391 12.086 1.00 0.00 H new ATOM 0 HB3 PHE A 33 22.141 -13.332 13.682 1.00 0.00 H new ATOM 0 HD1 PHE A 33 23.170 -11.433 15.249 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.268 -11.385 11.023 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.448 -8.949 15.284 1.00 0.00 H new ATOM 0 HE2 PHE A 33 23.549 -8.901 11.059 1.00 0.00 H new ATOM 0 HZ PHE A 33 23.635 -7.713 13.188 1.00 0.00 H new ATOM 497 N GLN A 34 25.175 -14.619 11.607 1.00 0.00 N ATOM 498 CA GLN A 34 26.170 -14.710 10.552 1.00 0.00 C ATOM 499 C GLN A 34 25.720 -13.909 9.328 1.00 0.00 C ATOM 500 O GLN A 34 24.636 -14.139 8.794 1.00 0.00 O ATOM 501 CB GLN A 34 26.444 -16.169 10.181 1.00 0.00 C ATOM 502 CG GLN A 34 26.948 -16.283 8.741 1.00 0.00 C ATOM 503 CD GLN A 34 28.377 -15.751 8.617 1.00 0.00 C ATOM 504 OE1 GLN A 34 29.244 -16.031 9.428 1.00 0.00 O ATOM 505 NE2 GLN A 34 28.573 -14.970 7.559 1.00 0.00 N ATOM 0 H GLN A 34 24.351 -15.203 11.468 1.00 0.00 H new ATOM 0 HA GLN A 34 27.102 -14.282 10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 34 27.183 -16.589 10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 34 25.533 -16.755 10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.915 -17.325 8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 34 26.289 -15.725 8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 34 27.803 -14.776 6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 34 29.493 -14.565 7.388 1.00 0.00 H new ATOM 514 N VAL A 35 26.576 -12.984 8.919 1.00 0.00 N ATOM 515 CA VAL A 35 26.280 -12.147 7.768 1.00 0.00 C ATOM 516 C VAL A 35 27.087 -12.639 6.565 1.00 0.00 C ATOM 517 O VAL A 35 28.268 -12.321 6.433 1.00 0.00 O ATOM 518 CB VAL A 35 26.547 -10.679 8.107 1.00 0.00 C ATOM 519 CG1 VAL A 35 26.014 -9.758 7.008 1.00 0.00 C ATOM 520 CG2 VAL A 35 25.949 -10.313 9.467 1.00 0.00 C ATOM 0 H VAL A 35 27.474 -12.796 9.364 1.00 0.00 H new ATOM 0 HA VAL A 35 25.225 -12.219 7.504 1.00 0.00 H new ATOM 0 HB VAL A 35 27.626 -10.539 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 35 26.216 -8.720 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 35 26.507 -9.994 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.939 -9.902 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 35 26.153 -9.264 9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.872 -10.476 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.396 -10.937 10.241 1.00 0.00 H new ATOM 530 N ILE A 36 26.417 -13.406 5.718 1.00 0.00 N ATOM 531 CA ILE A 36 27.057 -13.945 4.530 1.00 0.00 C ATOM 532 C ILE A 36 26.777 -13.023 3.342 1.00 0.00 C ATOM 533 O ILE A 36 25.631 -12.646 3.101 1.00 0.00 O ATOM 534 CB ILE A 36 26.624 -15.395 4.299 1.00 0.00 C ATOM 535 CG1 ILE A 36 27.758 -16.366 4.634 1.00 0.00 C ATOM 536 CG2 ILE A 36 26.104 -15.591 2.873 1.00 0.00 C ATOM 537 CD1 ILE A 36 27.246 -17.806 4.694 1.00 0.00 C ATOM 0 H ILE A 36 25.437 -13.667 5.831 1.00 0.00 H new ATOM 0 HA ILE A 36 28.139 -13.977 4.661 1.00 0.00 H new ATOM 0 HB ILE A 36 25.799 -15.617 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 36 28.544 -16.287 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 36 28.204 -16.094 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 25.803 -16.629 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 36 25.246 -14.939 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 36 26.892 -15.344 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 28.072 -18.476 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 26.478 -17.887 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 36 26.823 -18.082 3.728 1.00 0.00 H new ATOM 549 N ALA A 37 27.843 -12.685 2.631 1.00 0.00 N ATOM 550 CA ALA A 37 27.725 -11.814 1.474 1.00 0.00 C ATOM 551 C ALA A 37 27.513 -12.665 0.220 1.00 0.00 C ATOM 552 O ALA A 37 28.449 -13.290 -0.276 1.00 0.00 O ATOM 553 CB ALA A 37 28.969 -10.928 1.374 1.00 0.00 C ATOM 0 H ALA A 37 28.792 -12.999 2.834 1.00 0.00 H new ATOM 0 HA ALA A 37 26.862 -11.155 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 37 28.881 -10.274 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 37 29.058 -10.323 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 37 29.854 -11.555 1.268 1.00 0.00 H new ATOM 559 N VAL A 38 26.277 -12.660 -0.257 1.00 0.00 N ATOM 560 CA VAL A 38 25.930 -13.423 -1.444 1.00 0.00 C ATOM 561 C VAL A 38 26.456 -12.698 -2.683 1.00 0.00 C ATOM 562 O VAL A 38 26.485 -11.469 -2.722 1.00 0.00 O ATOM 563 CB VAL A 38 24.420 -13.664 -1.488 1.00 0.00 C ATOM 564 CG1 VAL A 38 23.940 -13.872 -2.926 1.00 0.00 C ATOM 565 CG2 VAL A 38 24.027 -14.848 -0.602 1.00 0.00 C ATOM 0 H VAL A 38 25.503 -12.140 0.157 1.00 0.00 H new ATOM 0 HA VAL A 38 26.402 -14.405 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 38 23.927 -12.774 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.863 -14.041 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 38 24.170 -12.986 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.445 -14.737 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 38 22.948 -14.997 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 38 24.534 -15.748 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.318 -14.644 0.428 1.00 0.00 H new ATOM 575 N GLY A 39 26.860 -13.489 -3.667 1.00 0.00 N ATOM 576 CA GLY A 39 27.383 -12.937 -4.904 1.00 0.00 C ATOM 577 C GLY A 39 28.180 -13.989 -5.680 1.00 0.00 C ATOM 578 O GLY A 39 27.892 -15.181 -5.591 1.00 0.00 O ATOM 0 H GLY A 39 26.835 -14.508 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 39 26.561 -12.571 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 39 28.021 -12.081 -4.683 1.00 0.00 H new ATOM 582 N GLU A 40 29.166 -13.509 -6.423 1.00 0.00 N ATOM 583 CA GLU A 40 30.006 -14.392 -7.214 1.00 0.00 C ATOM 584 C GLU A 40 31.377 -13.754 -7.445 1.00 0.00 C ATOM 585 O GLU A 40 32.121 -14.177 -8.328 1.00 0.00 O ATOM 586 CB GLU A 40 29.334 -14.744 -8.542 1.00 0.00 C ATOM 587 CG GLU A 40 28.959 -16.227 -8.591 1.00 0.00 C ATOM 588 CD GLU A 40 28.058 -16.525 -9.791 1.00 0.00 C ATOM 589 OE1 GLU A 40 28.187 -15.876 -10.840 1.00 0.00 O ATOM 590 OE2 GLU A 40 27.200 -17.470 -9.607 1.00 0.00 O ATOM 0 H GLU A 40 29.402 -12.519 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 40 30.148 -15.320 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 40 28.440 -14.135 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 30.006 -14.508 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 40 29.863 -16.833 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 40 28.448 -16.507 -7.670 1.00 0.00 H new ATOM 598 N LEU A 41 31.670 -12.747 -6.635 1.00 0.00 N ATOM 599 CA LEU A 41 32.939 -12.047 -6.741 1.00 0.00 C ATOM 600 C LEU A 41 34.056 -12.941 -6.200 1.00 0.00 C ATOM 601 O LEU A 41 34.994 -13.275 -6.923 1.00 0.00 O ATOM 602 CB LEU A 41 32.856 -10.682 -6.054 1.00 0.00 C ATOM 603 CG LEU A 41 33.986 -9.701 -6.373 1.00 0.00 C ATOM 604 CD1 LEU A 41 35.330 -10.230 -5.868 1.00 0.00 C ATOM 605 CD2 LEU A 41 34.024 -9.375 -7.867 1.00 0.00 C ATOM 0 H LEU A 41 31.051 -12.399 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 41 33.174 -11.839 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 41 31.909 -10.216 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 41 32.833 -10.841 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 41 33.788 -8.768 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 41 36.116 -9.514 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 41 35.283 -10.370 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 41 35.549 -11.184 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 41 34.836 -8.676 -8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 41 34.186 -10.291 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 41 33.077 -8.926 -8.166 1.00 0.00 H new ATOM 617 N PHE A 42 33.920 -13.303 -4.933 1.00 0.00 N ATOM 618 CA PHE A 42 34.907 -14.152 -4.287 1.00 0.00 C ATOM 619 C PHE A 42 34.528 -15.629 -4.417 1.00 0.00 C ATOM 620 O PHE A 42 34.770 -16.418 -3.505 1.00 0.00 O ATOM 621 CB PHE A 42 34.923 -13.771 -2.806 1.00 0.00 C ATOM 622 CG PHE A 42 35.439 -12.357 -2.533 1.00 0.00 C ATOM 623 CD1 PHE A 42 36.423 -11.830 -3.309 1.00 0.00 C ATOM 624 CD2 PHE A 42 34.912 -11.626 -1.514 1.00 0.00 C ATOM 625 CE1 PHE A 42 36.902 -10.517 -3.056 1.00 0.00 C ATOM 626 CE2 PHE A 42 35.391 -10.313 -1.261 1.00 0.00 C ATOM 627 CZ PHE A 42 36.375 -9.786 -2.037 1.00 0.00 C ATOM 0 H PHE A 42 33.141 -13.024 -4.336 1.00 0.00 H new ATOM 0 HA PHE A 42 35.882 -14.012 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 42 33.913 -13.861 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 42 35.544 -14.484 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 42 36.841 -12.410 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 42 34.130 -12.044 -0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 42 37.684 -10.099 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 42 34.973 -9.733 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 42 36.738 -8.787 -1.845 1.00 0.00 H new ATOM 637 N ASP A 43 33.942 -15.958 -5.559 1.00 0.00 N ATOM 638 CA ASP A 43 33.528 -17.327 -5.820 1.00 0.00 C ATOM 639 C ASP A 43 34.756 -18.169 -6.168 1.00 0.00 C ATOM 640 O ASP A 43 34.890 -18.641 -7.296 1.00 0.00 O ATOM 641 CB ASP A 43 32.558 -17.393 -7.002 1.00 0.00 C ATOM 642 CG ASP A 43 32.081 -18.799 -7.369 1.00 0.00 C ATOM 643 OD1 ASP A 43 32.051 -19.175 -8.550 1.00 0.00 O ATOM 644 OD2 ASP A 43 31.725 -19.532 -6.369 1.00 0.00 O ATOM 0 H ASP A 43 33.744 -15.301 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 43 33.033 -17.706 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 43 31.687 -16.779 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 43 33.040 -16.950 -7.873 1.00 0.00 H new ATOM 650 N GLY A 44 35.623 -18.331 -5.179 1.00 0.00 N ATOM 651 CA GLY A 44 36.836 -19.108 -5.367 1.00 0.00 C ATOM 652 C GLY A 44 37.984 -18.545 -4.526 1.00 0.00 C ATOM 653 O GLY A 44 38.988 -19.221 -4.307 1.00 0.00 O ATOM 0 H GLY A 44 35.509 -17.937 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 44 36.653 -20.146 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 44 37.116 -19.103 -6.420 1.00 0.00 H new ATOM 657 N MET A 45 37.797 -17.312 -4.078 1.00 0.00 N ATOM 658 CA MET A 45 38.804 -16.650 -3.267 1.00 0.00 C ATOM 659 C MET A 45 39.141 -17.480 -2.027 1.00 0.00 C ATOM 660 O MET A 45 38.428 -18.426 -1.696 1.00 0.00 O ATOM 661 CB MET A 45 38.290 -15.275 -2.836 1.00 0.00 C ATOM 662 CG MET A 45 39.189 -14.160 -3.376 1.00 0.00 C ATOM 663 SD MET A 45 38.836 -13.874 -5.103 1.00 0.00 S ATOM 664 CE MET A 45 38.966 -12.095 -5.155 1.00 0.00 C ATOM 0 H MET A 45 36.963 -16.754 -4.261 1.00 0.00 H new ATOM 0 HA MET A 45 39.709 -16.539 -3.864 1.00 0.00 H new ATOM 0 HB2 MET A 45 37.272 -15.134 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 45 38.252 -15.222 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 45 39.028 -13.244 -2.807 1.00 0.00 H new ATOM 0 HG3 MET A 45 40.237 -14.433 -3.251 1.00 0.00 H new ATOM 0 HE1 MET A 45 38.027 -11.672 -5.513 1.00 0.00 H new ATOM 0 HE2 MET A 45 39.177 -11.716 -4.155 1.00 0.00 H new ATOM 0 HE3 MET A 45 39.773 -11.809 -5.829 1.00 0.00 H new ATOM 674 N SER A 46 40.229 -17.096 -1.374 1.00 0.00 N ATOM 675 CA SER A 46 40.669 -17.793 -0.178 1.00 0.00 C ATOM 676 C SER A 46 40.013 -17.176 1.059 1.00 0.00 C ATOM 677 O SER A 46 40.140 -15.976 1.300 1.00 0.00 O ATOM 678 CB SER A 46 42.193 -17.752 -0.046 1.00 0.00 C ATOM 679 OG SER A 46 42.656 -18.546 1.043 1.00 0.00 O ATOM 0 H SER A 46 40.818 -16.311 -1.651 1.00 0.00 H new ATOM 0 HA SER A 46 40.366 -18.837 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 46 42.647 -18.106 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 46 42.517 -16.721 0.094 1.00 0.00 H new ATOM 0 HG SER A 46 43.633 -18.495 1.093 1.00 0.00 H new ATOM 685 N ARG A 47 39.325 -18.024 1.810 1.00 0.00 N ATOM 686 CA ARG A 47 38.649 -17.577 3.016 1.00 0.00 C ATOM 687 C ARG A 47 39.499 -16.534 3.745 1.00 0.00 C ATOM 688 O ARG A 47 38.965 -15.601 4.343 1.00 0.00 O ATOM 689 CB ARG A 47 38.372 -18.749 3.958 1.00 0.00 C ATOM 690 CG ARG A 47 37.314 -18.377 4.999 1.00 0.00 C ATOM 691 CD ARG A 47 37.030 -19.553 5.936 1.00 0.00 C ATOM 692 NE ARG A 47 36.303 -20.617 5.208 1.00 0.00 N ATOM 693 CZ ARG A 47 35.872 -21.763 5.775 1.00 0.00 C ATOM 694 NH1 ARG A 47 36.091 -22.005 7.085 1.00 0.00 N ATOM 695 NH2 ARG A 47 35.233 -22.645 5.029 1.00 0.00 N ATOM 0 H ARG A 47 39.221 -19.018 1.606 1.00 0.00 H new ATOM 0 HA ARG A 47 37.699 -17.133 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 47 38.034 -19.611 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 47 39.294 -19.043 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 37.655 -17.519 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 36.394 -18.077 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 47 37.966 -19.947 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 47 36.440 -19.215 6.788 1.00 0.00 H new ATOM 0 HE ARG A 47 36.116 -20.475 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 47 36.586 -21.319 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 47 35.762 -22.874 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 35.072 -22.455 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 47 34.900 -23.516 5.442 1.00 0.00 H new ATOM 708 N VAL A 48 40.807 -16.729 3.673 1.00 0.00 N ATOM 709 CA VAL A 48 41.736 -15.817 4.319 1.00 0.00 C ATOM 710 C VAL A 48 41.753 -14.489 3.559 1.00 0.00 C ATOM 711 O VAL A 48 41.467 -13.439 4.132 1.00 0.00 O ATOM 712 CB VAL A 48 43.119 -16.464 4.422 1.00 0.00 C ATOM 713 CG1 VAL A 48 44.161 -15.457 4.913 1.00 0.00 C ATOM 714 CG2 VAL A 48 43.080 -17.698 5.326 1.00 0.00 C ATOM 0 H VAL A 48 41.246 -17.505 3.177 1.00 0.00 H new ATOM 0 HA VAL A 48 41.414 -15.604 5.339 1.00 0.00 H new ATOM 0 HB VAL A 48 43.412 -16.789 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 48 45.135 -15.943 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 48 44.217 -14.622 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 48 43.874 -15.088 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 48 44.075 -18.139 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 48 42.755 -17.407 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 48 42.382 -18.428 4.915 1.00 0.00 H new ATOM 724 N LYS A 49 42.090 -14.580 2.281 1.00 0.00 N ATOM 725 CA LYS A 49 42.148 -13.399 1.437 1.00 0.00 C ATOM 726 C LYS A 49 40.777 -12.721 1.421 1.00 0.00 C ATOM 727 O LYS A 49 40.682 -11.506 1.251 1.00 0.00 O ATOM 728 CB LYS A 49 42.672 -13.760 0.046 1.00 0.00 C ATOM 729 CG LYS A 49 43.798 -12.815 -0.379 1.00 0.00 C ATOM 730 CD LYS A 49 43.322 -11.846 -1.463 1.00 0.00 C ATOM 731 CE LYS A 49 44.431 -10.864 -1.847 1.00 0.00 C ATOM 732 NZ LYS A 49 43.976 -9.469 -1.658 1.00 0.00 N ATOM 0 H LYS A 49 42.326 -15.453 1.810 1.00 0.00 H new ATOM 0 HA LYS A 49 42.857 -12.676 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.036 -14.788 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.858 -13.710 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.152 -12.253 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 49 44.643 -13.395 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 49 43.007 -12.406 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.451 -11.295 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.316 -11.050 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 44.720 -11.021 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 44.740 -8.816 -1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 43.145 -9.291 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 43.722 -9.319 -0.661 1.00 0.00 H new ATOM 745 N LYS A 50 39.747 -13.536 1.601 1.00 0.00 N ATOM 746 CA LYS A 50 38.385 -13.030 1.609 1.00 0.00 C ATOM 747 C LYS A 50 38.140 -12.260 2.908 1.00 0.00 C ATOM 748 O LYS A 50 38.117 -11.030 2.910 1.00 0.00 O ATOM 749 CB LYS A 50 37.390 -14.167 1.371 1.00 0.00 C ATOM 750 CG LYS A 50 35.963 -13.725 1.700 1.00 0.00 C ATOM 751 CD LYS A 50 35.049 -14.934 1.911 1.00 0.00 C ATOM 752 CE LYS A 50 35.223 -15.513 3.316 1.00 0.00 C ATOM 753 NZ LYS A 50 35.010 -14.465 4.339 1.00 0.00 N ATOM 0 H LYS A 50 39.829 -14.543 1.742 1.00 0.00 H new ATOM 0 HA LYS A 50 38.234 -12.328 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 37.444 -14.490 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 50 37.659 -15.026 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 50 35.968 -13.107 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 50 35.574 -13.107 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 50 34.010 -14.640 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 50 35.274 -15.699 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 50 34.516 -16.328 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 50 36.223 -15.934 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 34.569 -14.886 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 35.924 -14.045 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 34.387 -13.726 3.955 1.00 0.00 H new ATOM 766 N GLN A 51 37.962 -13.015 3.982 1.00 0.00 N ATOM 767 CA GLN A 51 37.719 -12.419 5.285 1.00 0.00 C ATOM 768 C GLN A 51 38.744 -11.319 5.564 1.00 0.00 C ATOM 769 O GLN A 51 38.477 -10.397 6.334 1.00 0.00 O ATOM 770 CB GLN A 51 37.740 -13.481 6.386 1.00 0.00 C ATOM 771 CG GLN A 51 36.323 -13.804 6.864 1.00 0.00 C ATOM 772 CD GLN A 51 36.204 -13.635 8.380 1.00 0.00 C ATOM 773 OE1 GLN A 51 37.153 -13.810 9.126 1.00 0.00 O ATOM 774 NE2 GLN A 51 34.988 -13.286 8.791 1.00 0.00 N ATOM 0 H GLN A 51 37.981 -14.035 3.977 1.00 0.00 H new ATOM 0 HA GLN A 51 36.726 -11.970 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 51 38.217 -14.387 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 51 38.339 -13.128 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 51 35.609 -13.150 6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 51 36.066 -14.827 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 51 34.238 -13.156 8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 51 34.806 -13.149 9.785 1.00 0.00 H new ATOM 783 N GLN A 52 39.896 -11.451 4.924 1.00 0.00 N ATOM 784 CA GLN A 52 40.963 -10.479 5.094 1.00 0.00 C ATOM 785 C GLN A 52 40.573 -9.145 4.453 1.00 0.00 C ATOM 786 O GLN A 52 40.499 -8.123 5.133 1.00 0.00 O ATOM 787 CB GLN A 52 42.279 -11.002 4.515 1.00 0.00 C ATOM 788 CG GLN A 52 43.346 -9.905 4.500 1.00 0.00 C ATOM 789 CD GLN A 52 44.732 -10.492 4.227 1.00 0.00 C ATOM 790 OE1 GLN A 52 45.520 -10.735 5.126 1.00 0.00 O ATOM 791 NE2 GLN A 52 44.984 -10.706 2.939 1.00 0.00 N ATOM 0 H GLN A 52 40.114 -12.217 4.286 1.00 0.00 H new ATOM 0 HA GLN A 52 41.113 -10.317 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 52 42.630 -11.848 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 52 42.115 -11.368 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 52 43.103 -9.167 3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 52 43.350 -9.384 5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 52 44.279 -10.480 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 52 45.882 -11.096 2.653 1.00 0.00 H new ATOM 800 N THR A 53 40.334 -9.199 3.151 1.00 0.00 N ATOM 801 CA THR A 53 39.954 -8.008 2.410 1.00 0.00 C ATOM 802 C THR A 53 38.544 -7.563 2.804 1.00 0.00 C ATOM 803 O THR A 53 38.156 -6.423 2.553 1.00 0.00 O ATOM 804 CB THR A 53 40.100 -8.312 0.918 1.00 0.00 C ATOM 805 OG1 THR A 53 41.431 -7.905 0.610 1.00 0.00 O ATOM 806 CG2 THR A 53 39.223 -7.410 0.047 1.00 0.00 C ATOM 0 H THR A 53 40.396 -10.049 2.590 1.00 0.00 H new ATOM 0 HA THR A 53 40.606 -7.168 2.650 1.00 0.00 H new ATOM 0 HB THR A 53 39.842 -9.355 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.612 -8.069 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.365 -7.668 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 53 38.176 -7.550 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.502 -6.368 0.206 1.00 0.00 H new ATOM 814 N VAL A 54 37.815 -8.486 3.414 1.00 0.00 N ATOM 815 CA VAL A 54 36.457 -8.203 3.845 1.00 0.00 C ATOM 816 C VAL A 54 36.490 -7.551 5.229 1.00 0.00 C ATOM 817 O VAL A 54 35.689 -6.664 5.521 1.00 0.00 O ATOM 818 CB VAL A 54 35.618 -9.482 3.807 1.00 0.00 C ATOM 819 CG1 VAL A 54 34.209 -9.231 4.348 1.00 0.00 C ATOM 820 CG2 VAL A 54 35.567 -10.062 2.392 1.00 0.00 C ATOM 0 H VAL A 54 38.140 -9.431 3.620 1.00 0.00 H new ATOM 0 HA VAL A 54 35.981 -7.497 3.165 1.00 0.00 H new ATOM 0 HB VAL A 54 36.098 -10.217 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 54 33.634 -10.156 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 54 34.272 -8.885 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 54 33.716 -8.472 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 54 34.965 -10.970 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 54 35.122 -9.332 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 54 36.578 -10.297 2.059 1.00 0.00 H new ATOM 830 N TYR A 55 37.425 -8.016 6.044 1.00 0.00 N ATOM 831 CA TYR A 55 37.574 -7.490 7.390 1.00 0.00 C ATOM 832 C TYR A 55 38.472 -6.251 7.399 1.00 0.00 C ATOM 833 O TYR A 55 38.396 -5.432 8.313 1.00 0.00 O ATOM 834 CB TYR A 55 38.246 -8.598 8.204 1.00 0.00 C ATOM 835 CG TYR A 55 38.346 -8.296 9.701 1.00 0.00 C ATOM 836 CD1 TYR A 55 37.363 -7.554 10.323 1.00 0.00 C ATOM 837 CD2 TYR A 55 39.420 -8.767 10.429 1.00 0.00 C ATOM 838 CE1 TYR A 55 37.458 -7.270 11.731 1.00 0.00 C ATOM 839 CE2 TYR A 55 39.515 -8.483 11.838 1.00 0.00 C ATOM 840 CZ TYR A 55 38.529 -7.748 12.419 1.00 0.00 C ATOM 841 OH TYR A 55 38.618 -7.480 13.750 1.00 0.00 O ATOM 0 H TYR A 55 38.087 -8.752 5.798 1.00 0.00 H new ATOM 0 HA TYR A 55 36.606 -7.200 7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 55 37.689 -9.525 8.067 1.00 0.00 H new ATOM 0 HB3 TYR A 55 39.248 -8.768 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 55 36.522 -7.186 9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 55 40.189 -9.348 9.942 1.00 0.00 H new ATOM 0 HE1 TYR A 55 36.696 -6.690 12.230 1.00 0.00 H new ATOM 0 HE2 TYR A 55 40.350 -8.845 12.420 1.00 0.00 H new ATOM 0 HH TYR A 55 39.434 -7.885 14.111 1.00 0.00 H new ATOM 851 N GLY A 56 39.301 -6.154 6.370 1.00 0.00 N ATOM 852 CA GLY A 56 40.213 -5.029 6.247 1.00 0.00 C ATOM 853 C GLY A 56 39.473 -3.702 6.426 1.00 0.00 C ATOM 854 O GLY A 56 39.884 -2.860 7.223 1.00 0.00 O ATOM 0 H GLY A 56 39.360 -6.836 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 56 41.003 -5.113 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 56 40.695 -5.052 5.270 1.00 0.00 H new ATOM 858 N PRO A 57 38.365 -3.553 5.652 1.00 0.00 N ATOM 859 CA PRO A 57 37.564 -2.342 5.717 1.00 0.00 C ATOM 860 C PRO A 57 36.719 -2.312 6.992 1.00 0.00 C ATOM 861 O PRO A 57 36.879 -1.422 7.826 1.00 0.00 O ATOM 862 CB PRO A 57 36.725 -2.356 4.449 1.00 0.00 C ATOM 863 CG PRO A 57 36.745 -3.793 3.952 1.00 0.00 C ATOM 864 CD PRO A 57 37.847 -4.528 4.697 1.00 0.00 C ATOM 0 HA PRO A 57 38.171 -1.438 5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 57 35.706 -2.027 4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 57 37.136 -1.678 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 57 35.781 -4.271 4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 57 36.925 -3.823 2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 57 37.460 -5.412 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 57 38.627 -4.867 4.016 1.00 0.00 H new ATOM 872 N LEU A 58 35.837 -3.295 7.103 1.00 0.00 N ATOM 873 CA LEU A 58 34.966 -3.392 8.262 1.00 0.00 C ATOM 874 C LEU A 58 35.742 -4.013 9.426 1.00 0.00 C ATOM 875 O LEU A 58 35.193 -4.808 10.188 1.00 0.00 O ATOM 876 CB LEU A 58 33.683 -4.145 7.907 1.00 0.00 C ATOM 877 CG LEU A 58 33.838 -5.642 7.631 1.00 0.00 C ATOM 878 CD1 LEU A 58 33.603 -6.461 8.902 1.00 0.00 C ATOM 879 CD2 LEU A 58 32.926 -6.087 6.487 1.00 0.00 C ATOM 0 H LEU A 58 35.707 -4.031 6.409 1.00 0.00 H new ATOM 0 HA LEU A 58 34.647 -2.400 8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 58 32.973 -4.018 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 58 33.243 -3.677 7.027 1.00 0.00 H new ATOM 0 HG LEU A 58 34.865 -5.825 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 33.719 -7.521 8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 58 34.328 -6.169 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 58 32.595 -6.277 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 58 33.056 -7.155 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 58 31.888 -5.887 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 58 33.183 -5.537 5.582 1.00 0.00 H new ATOM 891 N MET A 59 37.005 -3.626 9.527 1.00 0.00 N ATOM 892 CA MET A 59 37.861 -4.135 10.585 1.00 0.00 C ATOM 893 C MET A 59 37.617 -3.385 11.896 1.00 0.00 C ATOM 894 O MET A 59 37.528 -3.997 12.959 1.00 0.00 O ATOM 895 CB MET A 59 39.327 -3.983 10.174 1.00 0.00 C ATOM 896 CG MET A 59 40.085 -5.300 10.349 1.00 0.00 C ATOM 897 SD MET A 59 41.056 -5.252 11.846 1.00 0.00 S ATOM 898 CE MET A 59 42.441 -4.276 11.286 1.00 0.00 C ATOM 0 H MET A 59 37.456 -2.966 8.894 1.00 0.00 H new ATOM 0 HA MET A 59 37.626 -5.188 10.742 1.00 0.00 H new ATOM 0 HB2 MET A 59 39.385 -3.661 9.134 1.00 0.00 H new ATOM 0 HB3 MET A 59 39.798 -3.205 10.775 1.00 0.00 H new ATOM 0 HG2 MET A 59 39.381 -6.131 10.389 1.00 0.00 H new ATOM 0 HG3 MET A 59 40.734 -5.472 9.490 1.00 0.00 H new ATOM 0 HE1 MET A 59 43.351 -4.873 11.338 1.00 0.00 H new ATOM 0 HE2 MET A 59 42.272 -3.961 10.256 1.00 0.00 H new ATOM 0 HE3 MET A 59 42.547 -3.397 11.922 1.00 0.00 H new ATOM 908 N GLU A 60 37.517 -2.069 11.777 1.00 0.00 N ATOM 909 CA GLU A 60 37.286 -1.228 12.939 1.00 0.00 C ATOM 910 C GLU A 60 35.850 -1.399 13.441 1.00 0.00 C ATOM 911 O GLU A 60 35.631 -1.737 14.603 1.00 0.00 O ATOM 912 CB GLU A 60 37.586 0.239 12.624 1.00 0.00 C ATOM 913 CG GLU A 60 39.088 0.519 12.695 1.00 0.00 C ATOM 914 CD GLU A 60 39.390 1.980 12.353 1.00 0.00 C ATOM 915 OE1 GLU A 60 38.665 2.592 11.556 1.00 0.00 O ATOM 916 OE2 GLU A 60 40.420 2.477 12.949 1.00 0.00 O ATOM 0 H GLU A 60 37.592 -1.565 10.894 1.00 0.00 H new ATOM 0 HA GLU A 60 37.967 -1.541 13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.213 0.485 11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.059 0.881 13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 60 39.457 0.292 13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 60 39.617 -0.137 12.004 1.00 0.00 H new ATOM 924 N TYR A 61 34.910 -1.156 12.539 1.00 0.00 N ATOM 925 CA TYR A 61 33.502 -1.279 12.876 1.00 0.00 C ATOM 926 C TYR A 61 33.240 -2.552 13.684 1.00 0.00 C ATOM 927 O TYR A 61 32.521 -2.521 14.681 1.00 0.00 O ATOM 928 CB TYR A 61 32.757 -1.373 11.543 1.00 0.00 C ATOM 929 CG TYR A 61 31.242 -1.535 11.687 1.00 0.00 C ATOM 930 CD1 TYR A 61 30.498 -0.546 12.297 1.00 0.00 C ATOM 931 CD2 TYR A 61 30.620 -2.669 11.206 1.00 0.00 C ATOM 932 CE1 TYR A 61 29.072 -0.698 12.433 1.00 0.00 C ATOM 933 CE2 TYR A 61 29.195 -2.821 11.341 1.00 0.00 C ATOM 934 CZ TYR A 61 28.491 -1.828 11.948 1.00 0.00 C ATOM 935 OH TYR A 61 27.145 -1.971 12.076 1.00 0.00 O ATOM 0 H TYR A 61 35.096 -0.875 11.576 1.00 0.00 H new ATOM 0 HA TYR A 61 33.176 -0.431 13.479 1.00 0.00 H new ATOM 0 HB2 TYR A 61 32.962 -0.475 10.960 1.00 0.00 H new ATOM 0 HB3 TYR A 61 33.150 -2.218 10.977 1.00 0.00 H new ATOM 0 HD1 TYR A 61 30.985 0.342 12.672 1.00 0.00 H new ATOM 0 HD2 TYR A 61 31.203 -3.443 10.728 1.00 0.00 H new ATOM 0 HE1 TYR A 61 28.478 0.068 12.909 1.00 0.00 H new ATOM 0 HE2 TYR A 61 28.696 -3.704 10.969 1.00 0.00 H new ATOM 0 HH TYR A 61 26.868 -2.825 11.684 1.00 0.00 H new ATOM 945 N ILE A 62 33.837 -3.641 13.223 1.00 0.00 N ATOM 946 CA ILE A 62 33.678 -4.921 13.890 1.00 0.00 C ATOM 947 C ILE A 62 34.371 -4.871 15.253 1.00 0.00 C ATOM 948 O ILE A 62 33.774 -5.220 16.270 1.00 0.00 O ATOM 949 CB ILE A 62 34.169 -6.059 12.992 1.00 0.00 C ATOM 950 CG1 ILE A 62 33.016 -6.653 12.180 1.00 0.00 C ATOM 951 CG2 ILE A 62 34.905 -7.123 13.808 1.00 0.00 C ATOM 952 CD1 ILE A 62 32.026 -5.567 11.757 1.00 0.00 C ATOM 0 H ILE A 62 34.432 -3.663 12.395 1.00 0.00 H new ATOM 0 HA ILE A 62 32.623 -5.125 14.075 1.00 0.00 H new ATOM 0 HB ILE A 62 34.885 -5.648 12.280 1.00 0.00 H new ATOM 0 HG12 ILE A 62 33.410 -7.155 11.296 1.00 0.00 H new ATOM 0 HG13 ILE A 62 32.501 -7.409 12.773 1.00 0.00 H new ATOM 0 HG21 ILE A 62 35.243 -7.920 13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 62 35.766 -6.672 14.302 1.00 0.00 H new ATOM 0 HG23 ILE A 62 34.231 -7.536 14.559 1.00 0.00 H new ATOM 0 HD11 ILE A 62 31.217 -6.017 11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 62 31.616 -5.083 12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 62 32.539 -4.826 11.144 1.00 0.00 H new ATOM 964 N ALA A 63 35.621 -4.434 15.230 1.00 0.00 N ATOM 965 CA ALA A 63 36.402 -4.334 16.451 1.00 0.00 C ATOM 966 C ALA A 63 35.510 -3.812 17.580 1.00 0.00 C ATOM 967 O ALA A 63 35.547 -4.330 18.695 1.00 0.00 O ATOM 968 CB ALA A 63 37.618 -3.438 16.207 1.00 0.00 C ATOM 0 H ALA A 63 36.113 -4.145 14.384 1.00 0.00 H new ATOM 0 HA ALA A 63 36.774 -5.314 16.751 1.00 0.00 H new ATOM 0 HB1 ALA A 63 38.204 -3.363 17.123 1.00 0.00 H new ATOM 0 HB2 ALA A 63 38.234 -3.867 15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 63 37.284 -2.445 15.908 1.00 0.00 H new ATOM 974 N ASP A 64 34.730 -2.792 17.251 1.00 0.00 N ATOM 975 CA ASP A 64 33.831 -2.194 18.223 1.00 0.00 C ATOM 976 C ASP A 64 32.533 -3.002 18.275 1.00 0.00 C ATOM 977 O ASP A 64 31.924 -3.138 19.335 1.00 0.00 O ATOM 978 CB ASP A 64 33.478 -0.757 17.836 1.00 0.00 C ATOM 979 CG ASP A 64 33.673 0.278 18.945 1.00 0.00 C ATOM 980 OD1 ASP A 64 32.724 0.966 19.351 1.00 0.00 O ATOM 981 OD2 ASP A 64 34.876 0.367 19.403 1.00 0.00 O ATOM 0 H ASP A 64 34.702 -2.365 16.325 1.00 0.00 H new ATOM 0 HA ASP A 64 34.333 -2.194 19.191 1.00 0.00 H new ATOM 0 HB2 ASP A 64 34.086 -0.468 16.979 1.00 0.00 H new ATOM 0 HB3 ASP A 64 32.437 -0.729 17.513 1.00 0.00 H new ATOM 987 N ASN A 65 32.148 -3.518 17.117 1.00 0.00 N ATOM 988 CA ASN A 65 30.933 -4.309 17.017 1.00 0.00 C ATOM 989 C ASN A 65 31.003 -5.471 18.010 1.00 0.00 C ATOM 990 O ASN A 65 29.981 -6.066 18.349 1.00 0.00 O ATOM 991 CB ASN A 65 30.772 -4.896 15.614 1.00 0.00 C ATOM 992 CG ASN A 65 29.331 -5.350 15.372 1.00 0.00 C ATOM 993 OD1 ASN A 65 28.973 -6.415 16.083 1.00 0.00 O flip ATOM 994 ND2 ASN A 65 28.593 -4.771 14.591 1.00 0.00 N flip ATOM 0 H ASN A 65 32.656 -3.404 16.240 1.00 0.00 H new ATOM 0 HA ASN A 65 30.087 -3.657 17.234 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.052 -4.151 14.870 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.449 -5.741 15.489 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.932 -3.958 14.076 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.637 -5.100 14.453 1.00 0.00 H new ATOM 1001 N ARG A 66 32.220 -5.760 18.449 1.00 0.00 N ATOM 1002 CA ARG A 66 32.437 -6.841 19.396 1.00 0.00 C ATOM 1003 C ARG A 66 31.221 -6.997 20.311 1.00 0.00 C ATOM 1004 O ARG A 66 30.835 -8.114 20.652 1.00 0.00 O ATOM 1005 CB ARG A 66 33.680 -6.582 20.250 1.00 0.00 C ATOM 1006 CG ARG A 66 33.706 -5.139 20.757 1.00 0.00 C ATOM 1007 CD ARG A 66 34.993 -4.855 21.535 1.00 0.00 C ATOM 1008 NE ARG A 66 34.784 -5.126 22.975 1.00 0.00 N ATOM 1009 CZ ARG A 66 34.978 -6.330 23.554 1.00 0.00 C ATOM 1010 NH1 ARG A 66 35.387 -7.386 22.819 1.00 0.00 N ATOM 1011 NH2 ARG A 66 34.761 -6.459 24.850 1.00 0.00 N ATOM 0 H ARG A 66 33.066 -5.264 18.166 1.00 0.00 H new ATOM 0 HA ARG A 66 32.586 -7.758 18.826 1.00 0.00 H new ATOM 0 HB2 ARG A 66 33.694 -7.269 21.096 1.00 0.00 H new ATOM 0 HB3 ARG A 66 34.577 -6.781 19.663 1.00 0.00 H new ATOM 0 HG2 ARG A 66 33.627 -4.452 19.914 1.00 0.00 H new ATOM 0 HG3 ARG A 66 32.842 -4.959 21.397 1.00 0.00 H new ATOM 0 HD2 ARG A 66 35.803 -5.476 21.153 1.00 0.00 H new ATOM 0 HD3 ARG A 66 35.293 -3.817 21.392 1.00 0.00 H new ATOM 0 HE ARG A 66 34.474 -4.355 23.567 1.00 0.00 H new ATOM 0 HH11 ARG A 66 35.552 -7.278 21.818 1.00 0.00 H new ATOM 0 HH12 ARG A 66 35.531 -8.292 23.264 1.00 0.00 H new ATOM 0 HH21 ARG A 66 34.452 -5.656 25.398 1.00 0.00 H new ATOM 0 HH22 ARG A 66 34.903 -7.362 25.303 1.00 0.00 H new ATOM 1024 N ILE A 67 30.650 -5.860 20.682 1.00 0.00 N ATOM 1025 CA ILE A 67 29.485 -5.857 21.551 1.00 0.00 C ATOM 1026 C ILE A 67 28.573 -7.028 21.179 1.00 0.00 C ATOM 1027 O ILE A 67 28.067 -7.727 22.054 1.00 0.00 O ATOM 1028 CB ILE A 67 28.788 -4.496 21.506 1.00 0.00 C ATOM 1029 CG1 ILE A 67 29.781 -3.362 21.768 1.00 0.00 C ATOM 1030 CG2 ILE A 67 27.603 -4.455 22.474 1.00 0.00 C ATOM 1031 CD1 ILE A 67 30.642 -3.660 22.997 1.00 0.00 C ATOM 0 H ILE A 67 30.972 -4.935 20.397 1.00 0.00 H new ATOM 0 HA ILE A 67 29.783 -6.003 22.589 1.00 0.00 H new ATOM 0 HB ILE A 67 28.390 -4.349 20.502 1.00 0.00 H new ATOM 0 HG12 ILE A 67 30.421 -3.225 20.896 1.00 0.00 H new ATOM 0 HG13 ILE A 67 29.240 -2.427 21.916 1.00 0.00 H new ATOM 0 HG21 ILE A 67 27.125 -3.477 22.423 1.00 0.00 H new ATOM 0 HG22 ILE A 67 26.883 -5.226 22.200 1.00 0.00 H new ATOM 0 HG23 ILE A 67 27.956 -4.633 23.490 1.00 0.00 H new ATOM 0 HD11 ILE A 67 31.339 -2.838 23.161 1.00 0.00 H new ATOM 0 HD12 ILE A 67 30.001 -3.772 23.872 1.00 0.00 H new ATOM 0 HD13 ILE A 67 31.200 -4.582 22.835 1.00 0.00 H new ATOM 1043 N HIS A 68 28.392 -7.205 19.878 1.00 0.00 N ATOM 1044 CA HIS A 68 27.550 -8.279 19.379 1.00 0.00 C ATOM 1045 C HIS A 68 28.409 -9.297 18.627 1.00 0.00 C ATOM 1046 O HIS A 68 29.635 -9.267 18.716 1.00 0.00 O ATOM 1047 CB HIS A 68 26.407 -7.722 18.528 1.00 0.00 C ATOM 1048 CG HIS A 68 25.160 -7.393 19.313 1.00 0.00 C ATOM 1049 ND1 HIS A 68 24.786 -8.086 20.451 1.00 0.00 N ATOM 1050 CD2 HIS A 68 24.207 -6.438 19.113 1.00 0.00 C ATOM 1051 CE1 HIS A 68 23.656 -7.564 20.906 1.00 0.00 C ATOM 1052 NE2 HIS A 68 23.299 -6.543 20.076 1.00 0.00 N ATOM 0 H HIS A 68 28.814 -6.623 19.155 1.00 0.00 H new ATOM 0 HA HIS A 68 27.082 -8.799 20.215 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.752 -6.822 18.020 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.156 -8.448 17.755 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.193 -5.718 18.308 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.113 -7.890 21.781 1.00 0.00 H new ATOM 0 HE2 HIS A 68 22.471 -5.956 20.178 1.00 0.00 H new ATOM 1060 N ALA A 69 27.730 -10.174 17.902 1.00 0.00 N ATOM 1061 CA ALA A 69 28.416 -11.200 17.134 1.00 0.00 C ATOM 1062 C ALA A 69 27.912 -11.172 15.690 1.00 0.00 C ATOM 1063 O ALA A 69 27.048 -11.963 15.314 1.00 0.00 O ATOM 1064 CB ALA A 69 28.205 -12.562 17.799 1.00 0.00 C ATOM 0 H ALA A 69 26.713 -10.195 17.830 1.00 0.00 H new ATOM 0 HA ALA A 69 29.489 -11.010 17.112 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.719 -13.332 17.223 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.606 -12.538 18.812 1.00 0.00 H new ATOM 0 HB3 ALA A 69 27.139 -12.788 17.836 1.00 0.00 H new ATOM 1070 N VAL A 70 28.473 -10.252 14.918 1.00 0.00 N ATOM 1071 CA VAL A 70 28.092 -10.111 13.524 1.00 0.00 C ATOM 1072 C VAL A 70 29.219 -10.640 12.635 1.00 0.00 C ATOM 1073 O VAL A 70 30.147 -9.905 12.300 1.00 0.00 O ATOM 1074 CB VAL A 70 27.729 -8.655 13.225 1.00 0.00 C ATOM 1075 CG1 VAL A 70 26.708 -8.126 14.236 1.00 0.00 C ATOM 1076 CG2 VAL A 70 28.979 -7.773 13.196 1.00 0.00 C ATOM 0 H VAL A 70 29.189 -9.597 15.233 1.00 0.00 H new ATOM 0 HA VAL A 70 27.203 -10.704 13.310 1.00 0.00 H new ATOM 0 HB VAL A 70 27.271 -8.620 12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 70 26.467 -7.089 14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.801 -8.729 14.187 1.00 0.00 H new ATOM 0 HG13 VAL A 70 27.128 -8.182 15.240 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.693 -6.743 12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.478 -7.817 14.164 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.658 -8.130 12.422 1.00 0.00 H new ATOM 1086 N SER A 71 29.101 -11.910 12.278 1.00 0.00 N ATOM 1087 CA SER A 71 30.099 -12.546 11.434 1.00 0.00 C ATOM 1088 C SER A 71 29.940 -12.073 9.988 1.00 0.00 C ATOM 1089 O SER A 71 28.847 -11.692 9.572 1.00 0.00 O ATOM 1090 CB SER A 71 29.993 -14.071 11.508 1.00 0.00 C ATOM 1091 OG SER A 71 30.795 -14.611 12.554 1.00 0.00 O ATOM 0 H SER A 71 28.330 -12.516 12.558 1.00 0.00 H new ATOM 0 HA SER A 71 31.086 -12.259 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 71 28.952 -14.355 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.301 -14.503 10.556 1.00 0.00 H new ATOM 0 HG SER A 71 30.699 -15.586 12.570 1.00 0.00 H new ATOM 1097 N ILE A 72 31.047 -12.113 9.261 1.00 0.00 N ATOM 1098 CA ILE A 72 31.044 -11.693 7.870 1.00 0.00 C ATOM 1099 C ILE A 72 31.818 -12.712 7.032 1.00 0.00 C ATOM 1100 O ILE A 72 33.031 -12.852 7.183 1.00 0.00 O ATOM 1101 CB ILE A 72 31.573 -10.263 7.741 1.00 0.00 C ATOM 1102 CG1 ILE A 72 30.725 -9.451 6.759 1.00 0.00 C ATOM 1103 CG2 ILE A 72 33.054 -10.258 7.359 1.00 0.00 C ATOM 1104 CD1 ILE A 72 29.638 -8.664 7.493 1.00 0.00 C ATOM 0 H ILE A 72 31.952 -12.430 9.609 1.00 0.00 H new ATOM 0 HA ILE A 72 30.026 -11.668 7.482 1.00 0.00 H new ATOM 0 HB ILE A 72 31.490 -9.780 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.364 -8.764 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 72 30.266 -10.119 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 72 33.404 -9.229 7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 72 33.630 -10.775 8.127 1.00 0.00 H new ATOM 0 HG23 ILE A 72 33.185 -10.766 6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 72 29.050 -8.096 6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 72 28.987 -9.355 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 72 30.101 -7.979 8.203 1.00 0.00 H new ATOM 1116 N LYS A 73 31.085 -13.398 6.167 1.00 0.00 N ATOM 1117 CA LYS A 73 31.688 -14.401 5.305 1.00 0.00 C ATOM 1118 C LYS A 73 31.140 -14.243 3.886 1.00 0.00 C ATOM 1119 O LYS A 73 29.944 -14.417 3.655 1.00 0.00 O ATOM 1120 CB LYS A 73 31.487 -15.800 5.890 1.00 0.00 C ATOM 1121 CG LYS A 73 32.583 -16.133 6.905 1.00 0.00 C ATOM 1122 CD LYS A 73 32.013 -16.205 8.323 1.00 0.00 C ATOM 1123 CE LYS A 73 32.932 -17.010 9.243 1.00 0.00 C ATOM 1124 NZ LYS A 73 32.898 -16.463 10.618 1.00 0.00 N ATOM 0 H LYS A 73 30.079 -13.279 6.045 1.00 0.00 H new ATOM 0 HA LYS A 73 32.767 -14.256 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.511 -15.860 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 73 31.493 -16.538 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 73 33.046 -17.085 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 73 33.366 -15.376 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.887 -15.198 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 73 31.025 -16.664 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 32.621 -18.055 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 73 33.952 -16.984 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 33.527 -17.021 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 33.216 -15.473 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 31.927 -16.510 10.986 1.00 0.00 H new ATOM 1137 N ALA A 74 32.041 -13.915 2.971 1.00 0.00 N ATOM 1138 CA ALA A 74 31.662 -13.732 1.580 1.00 0.00 C ATOM 1139 C ALA A 74 31.528 -15.099 0.908 1.00 0.00 C ATOM 1140 O ALA A 74 32.500 -15.846 0.812 1.00 0.00 O ATOM 1141 CB ALA A 74 32.692 -12.839 0.884 1.00 0.00 C ATOM 0 H ALA A 74 33.032 -13.771 3.166 1.00 0.00 H new ATOM 0 HA ALA A 74 30.695 -13.233 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 74 32.408 -12.701 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.728 -11.870 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.674 -13.309 0.934 1.00 0.00 H new ATOM 1147 N TYR A 75 30.314 -15.386 0.460 1.00 0.00 N ATOM 1148 CA TYR A 75 30.039 -16.651 -0.200 1.00 0.00 C ATOM 1149 C TYR A 75 28.864 -16.519 -1.171 1.00 0.00 C ATOM 1150 O TYR A 75 28.301 -15.437 -1.326 1.00 0.00 O ATOM 1151 CB TYR A 75 29.660 -17.633 0.911 1.00 0.00 C ATOM 1152 CG TYR A 75 30.845 -18.101 1.758 1.00 0.00 C ATOM 1153 CD1 TYR A 75 32.026 -18.473 1.148 1.00 0.00 C ATOM 1154 CD2 TYR A 75 30.733 -18.152 3.133 1.00 0.00 C ATOM 1155 CE1 TYR A 75 33.141 -18.914 1.946 1.00 0.00 C ATOM 1156 CE2 TYR A 75 31.848 -18.593 3.931 1.00 0.00 C ATOM 1157 CZ TYR A 75 32.996 -18.952 3.298 1.00 0.00 C ATOM 1158 OH TYR A 75 34.049 -19.368 4.051 1.00 0.00 O ATOM 0 H TYR A 75 29.510 -14.764 0.541 1.00 0.00 H new ATOM 0 HA TYR A 75 30.906 -16.982 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 75 28.924 -17.162 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 75 29.179 -18.503 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 75 32.114 -18.433 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 75 29.809 -17.861 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 75 34.071 -19.208 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 75 31.774 -18.637 5.008 1.00 0.00 H new ATOM 0 HH TYR A 75 33.803 -19.343 4.999 1.00 0.00 H new ATOM 1168 N THR A 76 28.529 -17.637 -1.799 1.00 0.00 N ATOM 1169 CA THR A 76 27.431 -17.659 -2.750 1.00 0.00 C ATOM 1170 C THR A 76 26.109 -17.942 -2.033 1.00 0.00 C ATOM 1171 O THR A 76 26.074 -18.050 -0.808 1.00 0.00 O ATOM 1172 CB THR A 76 27.766 -18.686 -3.834 1.00 0.00 C ATOM 1173 OG1 THR A 76 27.201 -19.901 -3.348 1.00 0.00 O ATOM 1174 CG2 THR A 76 29.265 -18.980 -3.919 1.00 0.00 C ATOM 0 H THR A 76 28.998 -18.533 -1.668 1.00 0.00 H new ATOM 0 HA THR A 76 27.303 -16.688 -3.229 1.00 0.00 H new ATOM 0 HB THR A 76 27.412 -18.323 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 76 27.370 -20.621 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 76 29.448 -19.714 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 76 29.804 -18.061 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 76 29.613 -19.374 -2.964 1.00 0.00 H new ATOM 1182 N PRO A 77 25.026 -18.057 -2.847 1.00 0.00 N ATOM 1183 CA PRO A 77 23.706 -18.326 -2.303 1.00 0.00 C ATOM 1184 C PRO A 77 23.578 -19.787 -1.870 1.00 0.00 C ATOM 1185 O PRO A 77 22.971 -20.083 -0.842 1.00 0.00 O ATOM 1186 CB PRO A 77 22.739 -17.949 -3.414 1.00 0.00 C ATOM 1187 CG PRO A 77 23.561 -17.926 -4.692 1.00 0.00 C ATOM 1188 CD PRO A 77 25.030 -17.936 -4.302 1.00 0.00 C ATOM 0 HA PRO A 77 23.499 -17.752 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.926 -18.671 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.286 -16.976 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 77 23.325 -18.790 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 77 23.328 -17.038 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 77 25.558 -18.769 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 77 25.531 -17.022 -4.622 1.00 0.00 H new ATOM 1196 N ALA A 78 24.160 -20.663 -2.675 1.00 0.00 N ATOM 1197 CA ALA A 78 24.119 -22.087 -2.388 1.00 0.00 C ATOM 1198 C ALA A 78 25.209 -22.429 -1.369 1.00 0.00 C ATOM 1199 O ALA A 78 25.083 -23.398 -0.622 1.00 0.00 O ATOM 1200 CB ALA A 78 24.271 -22.876 -3.690 1.00 0.00 C ATOM 0 H ALA A 78 24.663 -20.414 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 78 23.159 -22.362 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 78 24.240 -23.944 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 78 23.457 -22.619 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 78 25.224 -22.628 -4.157 1.00 0.00 H new ATOM 1206 N GLU A 79 26.253 -21.614 -1.372 1.00 0.00 N ATOM 1207 CA GLU A 79 27.364 -21.818 -0.457 1.00 0.00 C ATOM 1208 C GLU A 79 26.867 -21.812 0.990 1.00 0.00 C ATOM 1209 O GLU A 79 27.442 -22.477 1.850 1.00 0.00 O ATOM 1210 CB GLU A 79 28.450 -20.761 -0.669 1.00 0.00 C ATOM 1211 CG GLU A 79 29.607 -20.960 0.312 1.00 0.00 C ATOM 1212 CD GLU A 79 30.342 -22.273 0.034 1.00 0.00 C ATOM 1213 OE1 GLU A 79 31.468 -22.255 -0.484 1.00 0.00 O ATOM 1214 OE2 GLU A 79 29.702 -23.339 0.376 1.00 0.00 O ATOM 0 H GLU A 79 26.354 -20.811 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 79 27.807 -22.792 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 79 28.822 -20.817 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 79 28.025 -19.766 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 79 30.304 -20.125 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 79 29.226 -20.961 1.333 1.00 0.00 H new ATOM 1222 N TRP A 80 25.805 -21.053 1.214 1.00 0.00 N ATOM 1223 CA TRP A 80 25.224 -20.951 2.543 1.00 0.00 C ATOM 1224 C TRP A 80 24.751 -22.345 2.959 1.00 0.00 C ATOM 1225 O TRP A 80 25.384 -22.998 3.787 1.00 0.00 O ATOM 1226 CB TRP A 80 24.108 -19.906 2.575 1.00 0.00 C ATOM 1227 CG TRP A 80 24.203 -18.929 3.748 1.00 0.00 C ATOM 1228 CD1 TRP A 80 23.848 -17.637 3.777 1.00 0.00 C ATOM 1229 CD2 TRP A 80 24.703 -19.220 5.071 1.00 0.00 C ATOM 1230 NE1 TRP A 80 24.082 -17.076 5.016 1.00 0.00 N ATOM 1231 CE2 TRP A 80 24.618 -18.069 5.828 1.00 0.00 C ATOM 1232 CE3 TRP A 80 25.210 -20.415 5.609 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 25.022 -18.001 7.167 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 25.610 -20.331 6.948 1.00 0.00 C ATOM 1235 CH2 TRP A 80 25.531 -19.180 7.724 1.00 0.00 C ATOM 0 H TRP A 80 25.331 -20.502 0.498 1.00 0.00 H new ATOM 0 HA TRP A 80 25.965 -20.605 3.263 1.00 0.00 H new ATOM 0 HB2 TRP A 80 24.126 -19.341 1.643 1.00 0.00 H new ATOM 0 HB3 TRP A 80 23.147 -20.418 2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 80 23.431 -17.102 2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 80 23.896 -16.110 5.286 1.00 0.00 H new ATOM 0 HE3 TRP A 80 25.285 -21.327 5.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 24.945 -17.088 7.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 26.008 -21.222 7.410 1.00 0.00 H new ATOM 0 HH2 TRP A 80 25.861 -19.196 8.752 1.00 0.00 H new ATOM 1246 N ALA A 81 23.640 -22.759 2.367 1.00 0.00 N ATOM 1247 CA ALA A 81 23.074 -24.064 2.666 1.00 0.00 C ATOM 1248 C ALA A 81 24.207 -25.075 2.857 1.00 0.00 C ATOM 1249 O ALA A 81 24.259 -25.769 3.871 1.00 0.00 O ATOM 1250 CB ALA A 81 22.111 -24.471 1.550 1.00 0.00 C ATOM 0 H ALA A 81 23.117 -22.214 1.682 1.00 0.00 H new ATOM 0 HA ALA A 81 22.502 -24.031 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.687 -25.450 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.309 -23.736 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 81 22.650 -24.518 0.604 1.00 0.00 H new ATOM 1256 N ARG A 82 25.085 -25.125 1.867 1.00 0.00 N ATOM 1257 CA ARG A 82 26.214 -26.039 1.913 1.00 0.00 C ATOM 1258 C ARG A 82 27.048 -25.790 3.171 1.00 0.00 C ATOM 1259 O ARG A 82 27.501 -26.734 3.816 1.00 0.00 O ATOM 1260 CB ARG A 82 27.104 -25.878 0.679 1.00 0.00 C ATOM 1261 CG ARG A 82 28.196 -26.949 0.647 1.00 0.00 C ATOM 1262 CD ARG A 82 29.348 -26.531 -0.269 1.00 0.00 C ATOM 1263 NE ARG A 82 29.888 -27.714 -0.975 1.00 0.00 N ATOM 1264 CZ ARG A 82 29.403 -28.185 -2.143 1.00 0.00 C ATOM 1265 NH1 ARG A 82 28.361 -27.576 -2.748 1.00 0.00 N ATOM 1266 NH2 ARG A 82 29.964 -29.250 -2.686 1.00 0.00 N ATOM 0 H ARG A 82 25.038 -24.547 1.028 1.00 0.00 H new ATOM 0 HA ARG A 82 25.818 -27.054 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 82 26.496 -25.946 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 82 27.560 -24.888 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 82 28.572 -27.120 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 82 27.775 -27.893 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 82 28.999 -25.794 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 82 30.135 -26.056 0.317 1.00 0.00 H new ATOM 0 HE ARG A 82 30.676 -28.204 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 82 27.934 -26.753 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 82 28.001 -27.939 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 82 30.752 -29.704 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 82 29.610 -29.619 -3.568 1.00 0.00 H new ATOM 1279 N ASP A 83 27.225 -24.514 3.482 1.00 0.00 N ATOM 1280 CA ASP A 83 27.996 -24.129 4.651 1.00 0.00 C ATOM 1281 C ASP A 83 27.250 -24.562 5.914 1.00 0.00 C ATOM 1282 O ASP A 83 27.850 -25.113 6.836 1.00 0.00 O ATOM 1283 CB ASP A 83 28.186 -22.612 4.710 1.00 0.00 C ATOM 1284 CG ASP A 83 29.608 -22.127 4.424 1.00 0.00 C ATOM 1285 OD1 ASP A 83 30.568 -22.524 5.102 1.00 0.00 O ATOM 1286 OD2 ASP A 83 29.713 -21.294 3.445 1.00 0.00 O ATOM 0 H ASP A 83 26.847 -23.734 2.944 1.00 0.00 H new ATOM 0 HA ASP A 83 28.971 -24.612 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 83 27.509 -22.148 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 83 27.891 -22.262 5.699 1.00 0.00 H new ATOM 1292 N ARG A 84 25.952 -24.297 5.917 1.00 0.00 N ATOM 1293 CA ARG A 84 25.118 -24.652 7.052 1.00 0.00 C ATOM 1294 C ARG A 84 24.962 -26.172 7.141 1.00 0.00 C ATOM 1295 O ARG A 84 24.703 -26.711 8.216 1.00 0.00 O ATOM 1296 CB ARG A 84 23.733 -24.010 6.940 1.00 0.00 C ATOM 1297 CG ARG A 84 23.299 -23.408 8.278 1.00 0.00 C ATOM 1298 CD ARG A 84 22.842 -21.958 8.104 1.00 0.00 C ATOM 1299 NE ARG A 84 21.424 -21.822 8.503 1.00 0.00 N ATOM 1300 CZ ARG A 84 20.389 -22.343 7.809 1.00 0.00 C ATOM 1301 NH1 ARG A 84 20.607 -23.041 6.674 1.00 0.00 N ATOM 1302 NH2 ARG A 84 19.161 -22.161 8.258 1.00 0.00 N ATOM 0 H ARG A 84 25.457 -23.840 5.151 1.00 0.00 H new ATOM 0 HA ARG A 84 25.607 -24.280 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 84 23.749 -23.233 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 84 23.006 -24.757 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 84 22.488 -24.000 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 84 24.127 -23.450 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 84 23.463 -21.297 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 84 22.967 -21.651 7.066 1.00 0.00 H new ATOM 0 HE ARG A 84 21.215 -21.302 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.559 -23.178 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.820 -23.431 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.005 -21.634 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.368 -22.548 7.746 1.00 0.00 H new ATOM 1315 N LYS A 85 25.126 -26.820 5.997 1.00 0.00 N ATOM 1316 CA LYS A 85 25.007 -28.266 5.933 1.00 0.00 C ATOM 1317 C LYS A 85 26.358 -28.900 6.272 1.00 0.00 C ATOM 1318 O LYS A 85 26.429 -30.087 6.590 1.00 0.00 O ATOM 1319 CB LYS A 85 24.449 -28.698 4.575 1.00 0.00 C ATOM 1320 CG LYS A 85 22.969 -29.071 4.685 1.00 0.00 C ATOM 1321 CD LYS A 85 22.095 -28.078 3.917 1.00 0.00 C ATOM 1322 CE LYS A 85 21.985 -28.470 2.443 1.00 0.00 C ATOM 1323 NZ LYS A 85 21.196 -29.713 2.294 1.00 0.00 N ATOM 0 H LYS A 85 25.340 -26.370 5.107 1.00 0.00 H new ATOM 0 HA LYS A 85 24.292 -28.623 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 85 24.572 -27.890 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 85 25.016 -29.550 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.814 -30.076 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.671 -29.088 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.101 -28.043 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.517 -27.077 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.514 -27.664 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.981 -28.612 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.759 -29.736 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.821 -30.537 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.452 -29.741 3.020 1.00 0.00 H new ATOM 1336 N LEU A 86 27.397 -28.081 6.193 1.00 0.00 N ATOM 1337 CA LEU A 86 28.741 -28.547 6.488 1.00 0.00 C ATOM 1338 C LEU A 86 28.912 -28.673 8.003 1.00 0.00 C ATOM 1339 O LEU A 86 27.930 -28.675 8.744 1.00 0.00 O ATOM 1340 CB LEU A 86 29.780 -27.641 5.824 1.00 0.00 C ATOM 1341 CG LEU A 86 30.345 -28.133 4.490 1.00 0.00 C ATOM 1342 CD1 LEU A 86 31.579 -27.324 4.086 1.00 0.00 C ATOM 1343 CD2 LEU A 86 30.634 -29.634 4.538 1.00 0.00 C ATOM 0 H LEU A 86 27.335 -27.098 5.929 1.00 0.00 H new ATOM 0 HA LEU A 86 28.901 -29.539 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 86 29.330 -26.661 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 86 30.609 -27.503 6.518 1.00 0.00 H new ATOM 0 HG LEU A 86 29.590 -27.975 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 86 31.961 -27.694 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 86 31.308 -26.273 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 86 32.349 -27.428 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 86 31.035 -29.958 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 86 31.362 -29.839 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 86 29.712 -30.176 4.748 1.00 0.00 H new